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ethyl (3S)-1-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate

ethyl (3S)-1-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate

Systemtic Name:ethyl (3S)-1-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate
Openeye Name:ethyl (3S)-1-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]piperidine-3-carboxylate
CAS Name:(3S)-1-[mercapto-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-piperidinecarboxylic acid ethyl ester
IUPAC Name:ethyl (3S)-1-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]piperidine-3-carboxylate
Traditional Name:(3S)-1-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]nipecotic acid ethyl ester
Formula: C16H21NO4S
MolecularWeight: 323.40724
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=C2C=CC(=O)C(=C2)OC)S


Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=C2C=CC(=O)C(=C2)OC)S


InChI

InChI=1S/C16H21NO4S/c1-3-21-16(19)12-5-4-8-17(10-12)15(22)11-6-7-13(18)14(9-11)20-2/h6-7,9,12,22H,3-5,8,10H2,1-2H3/t12-/m0/s1


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